4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine

C12H17N5 — CID 78995441

IUPAC4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-8-5-6-13-12(15-8)14-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyLHTKOPJHZZCZRE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.75
Rot. Bonds3

About 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine

4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (PubChem CID 78995441) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
PubChem CID78995441
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C12H17N5/c1-8-5-6-13-12(15-8)14-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,13,14,15)
InChIKeyLHTKOPJHZZCZRE-UHFFFAOYSA-N
XLogP1.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 100619549
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
2-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 80525912
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 113243769
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 79242424
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
5-bromo-2-N-ethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80848491
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine (CID 78995441) is 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is Cc1ccnc(NCc2c(C)nn(C)c2C)n1.
What is the InChIKey of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
The InChIKey is LHTKOPJHZZCZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8-5-6-13-12(15-8)14-7-11-9(2)16-17(4)10(11)3/h5-6H,7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine?
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 78995441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).